General Information of the Compound
| Compound ID |
CP0456658
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| Compound Name |
2-[4-[[2-[4-(dimethylamino)phenyl]sulfonylphenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C27H27N3O4S
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| Molecular Weight |
489.597
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| Canonical SMILES |
CN(C)c1ccc(cc1)S(=O)(=O)c1ccccc1Cc1c(C)n(CC(O)=O)nc1-c1ccccc1
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| InChI |
InChI=1S/C27H27N3O4S/c1-19-24(27(20-9-5-4-6-10-20)28-30(19)18-26(31)32)17-21-11-7-8-12-25(21)35(33,34)23-15-13-22(14-16-23)29(2)3/h4-16H,17-18H2,1-3H3,(H,31,32)
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| InChIKey |
LLZDICWSMNQZBR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound